Algorithm 778: L-BFGS-B: Fortran subroutines for large-scale bound-constrained optimization
ACM Transactions on Mathematical Software (TOMS)
Automatic differentiation of algorithms
Efficient Implementation of the Truncated-Newton Algorithm for Large-Scale Chemistry Applications
SIAM Journal on Optimization
The Adjoint Newton Algorithm for Large-Scale Unconstrained Optimization in Meteorology Applications
Computational Optimization and Applications
Enriched Methods for Large-Scale Unconstrained Optimization
Computational Optimization and Applications
Cheap Second Order Directional Derivatives of Stiff ODE Embedded Functionals
SIAM Journal on Scientific Computing
Adjoint sensitivity analysis of regional air quality models
Journal of Computational Physics
Discrete second order adjoints in atmospheric chemical transport modeling
Journal of Computational Physics
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Inverse problems are of utmost importance in many fields of science and engineering. In the variational approach inverse problems are formulated as constrained optimization problems, where the optimal estimate of the uncertain parameters is the minimizer of a certain cost function subject to the model constraints. The numerical solution of such optimization problems requires the derivatives of a chosen cost function I dependent on the model parameters. Given that the parameter space is large in real-life problems, the derivatives of I can be calculated efficiently through first order adjoint sensitivity analysis. Second order adjoint models give second derivative information in the form of products between the Hessian of the cost functional and a user defined vector. In this paper we review the mathematical foundations of the second order adjoint sensitivity method. We then evaluate their performance in several data assimilation, sensitivity analysis, and uncertainty quantification scenarios, for a two dimensional shallow water flow simulation. In the data assimilation problem, we compare the performance of several well-known optimization methods that make use of first and second order information.